6EBQ

Crystal Structure of the Flavoprotein NrdI from Aerococcus urinae in Oxidized Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-09
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	55.444, 50.057, 64.272
Unit cell angles	90.00, 112.57, 90.00

Refinement procedure

Resolution	59.350 - 1.950
R-factor	0.2399
Rwork	0.238
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3n3a chain C
RMSD bond length	0.007
RMSD bond angle	1.182
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.350	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.034	0.022	0.404
Rmeas	0.037	0.024	0.437
Rpim	0.013	0.009	0.165
Number of reflections	23129	1220	1121
<I/σ(I)>	14
Completeness [%]	97.4	97.8	95.1
Redundancy	7.5	7.2	6.9
CC(1/2)		0.999	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	17% (w/v) PEG 20000, 0.1 M sodium acetate pH 4.6